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(5S*,6S*,7S*)-6-pentyl-5-phenyl-7-(phenylthiomethyl)tetrahydro-1H-pyrrolizin-3(2H)-one

View entire compound with spectra: 1 MS (GC)

(5S*,6S*,7S*)-6-pentyl-5-phenyl-7-(phenylthiomethyl)tetrahydro-1H-pyrrolizin-3(2H)-one
SpectraBase Compound ID InOex3jisPy
InChI InChI=1S/C25H31NOS/c1-2-3-6-15-21-22(18-28-20-13-9-5-10-14-20)23-16-17-24(27)26(23)25(21)19-11-7-4-8-12-19/h4-5,7-14,21-23,25H,2-3,6,15-18H2,1H3/t21-,22-,23?,25+/m0/s1
InChIKey DQZMOUZZDPFSCL-LJUADVNUSA-N
Mol Weight 393.59 g/mol
Molecular Formula C25H31NOS
Exact Mass 393.212636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 906JZchTuty
Name (5S*,6S*,7S*)-6-pentyl-5-phenyl-7-(phenylthiomethyl)tetrahydro-1H-pyrrolizin-3(2H)-one
Alternate Name(s) (5S,6S,7S)-6-pentyl-5-phenyl-7-((phenylthio)methyl)tetrahydro-1H-pyrrolizin-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NOS
InChI InChI=1S/C25H31NOS/c1-2-3-6-15-21-22(18-28-20-13-9-5-10-14-20)23-16-17-24(27)26(23)25(21)19-11-7-4-8-12-19/h4-5,7-14,21-23,25H,2-3,6,15-18H2,1H3/t21-,22-,23?,25+/m0/s1
InChIKey DQZMOUZZDPFSCL-LJUADVNUSA-N
Literature Reference DOI 10.1021/ol702017t
Molecular Weight 393.589 g/mol
SMILES C1(CCC2[C@]([C@@]([C@](N12)(c1ccccc1)[H])(CCCCC)[H])(CSc1ccccc1)[H])=O
SPLASH splash10-000x-9620000000-5eb3db5162f785b7138b
Source of Spectrum A1-9-4375/SM12-14
Wiley ID 1758696